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Ligand

NameCHEMBL343970
Molecular formulaC33H53N9O7
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-(2-aminoethylamino)-2-azidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight687.843
Hydrogen bond acceptor11
Hydrogen bond donor7
XlogP1.2
Synonyms(S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-5-(2-Amino-ethylamino)-2-azido-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
BDBM50086641
1-[(S)-2-Azido-5-(2-aminoethylamino)pentanoyl]-L-Pro-L-Tyr-L-Ile-L-Leu-OH
Inchi KeyDGOTZRGOUQWEBW-NICUNNCGSA-N
Inchi IDInChI=1S/C33H53N9O7/c1-5-21(4)28(31(46)38-26(33(48)49)18-20(2)3)39-29(44)25(19-22-10-12-23(43)13-11-22)37-30(45)27-9-7-17-42(27)32(47)24(40-41-35)8-6-15-36-16-14-34/h10-13,20-21,24-28,36,43H,5-9,14-19,34H2,1-4H3,(H,37,45)(H,38,46)(H,39,44)(H,48,49)/t21-,24-,25-,26-,27-,28-/m0/s1
PubChem CID44360189
ChEMBLCHEMBL343970
IUPHARN/A
BindingDB50086641
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
59462Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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